SCHEMBL7095965

SCHEMBL7095965

c1ccc2c(c1)Cc1c(-c3ccc(OCCN4CCOCC4)cc3)n[nH]c1-2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.65
RET P07949 2/20 0.65
MARK3 P27448 2/20 0.65
RPS6KA3 P51812 2/20 0.65
MELK Q14680 2/20 0.65
MARK2 Q7KZI7 2/20 0.65
BRSK1 Q8TDC3 2/20 0.65
AURKB Q96GD4 2/20 0.65
MAP4K4 O95819 1/20 0.65
PHKG2 P15735 1/20 0.65
RPS6KB1 P23443 1/20 0.65
FLT3 P36888 1/20 0.65
PRKAA1 Q13131 1/20 0.65
MINK1 Q8N4C8 1/20 0.65
KDR P35968 3/20 0.59
CDK2 P24941 2/20 0.59
PDGFRA P16234 1/20 0.59
FLT4 P35916 1/20 0.59
TYRO3 Q06418 1/20 0.59
CAMK2G Q13555 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7699601 0.89 CHEK1 (0.62) CHEK1RETMARK3RPS6KA3MELK
SCHEMBL7703429 0.85 CHEK1 (0.63) CHEK1RETMARK3RPS6KA3MELK
SCHEMBL7093261 0.84 CHEK1 (0.56) CHEK1RETMARK3RPS6KA3MELK
SCHEMBL7700703 0.82 CHEK1 (0.53) CHEK1RETMARK3RPS6KA3MELK
SCHEMBL7162844 0.82 CHEK1 (0.63) CHEK1RETMARK3RPS6KA3MELK
SCHEMBL6998333 0.80 KDR (0.61) CHEK1KDRCDK2CDK1
SCHEMBL7147004 0.80 KDR (0.68) CHEK1RETMARK3RPS6KA3MELK
Hydrochloric Acid SCHEMBL7000116 0.80 KDR (0.60) CHEK1KDRCDK2CDK1
SCHEMBL7147015 0.79 KDR (0.59) CHEK1RETMARK3RPS6KA3MELK
SCHEMBL6996897 0.79 CHEK1 (0.65) CHEK1KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
EP-1289525-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2003-03-12 EP disclosed
US-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
WO-2001087846-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-11-22 WO disclosed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed