SCHEMBL6996857

SCHEMBL6996857

CN1CCCN(CC(=O)Nc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.61
KIT P10721 3/20 0.56
FLT1 P17948 2/20 0.56
CHEK1 O14757 4/20 0.50
CDK2 P24941 4/20 0.49
CCNE2 O96020 3/20 0.49
CDK4 P11802 3/20 0.49
CCND1 P24385 3/20 0.49
CCNE1 P24864 3/20 0.49
MGLL Q99685 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LCK P06239 1/20 0.47
CSF1R P07333 1/20 0.47
FLT3 P36888 1/20 0.47
TEK Q02763 1/20 0.47
PDGFRB P09619 1/20 0.47
CDK1 P06493 1/20 0.47

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
SCHEMBL7000955 0.96 KDR (0.65) KDRKITFLT1CHEK1CDK2
SCHEMBL6999383 0.93 KDR (0.54) KDRKITFLT1CHEK1CDK2
SCHEMBL7092301 0.88 KDR (0.50) KDRKITFLT1CHEK1CDK2
SCHEMBL6998835 0.88 KDR (0.53) KDRKITFLT1CHEK1CDK2
SCHEMBL7095976 0.87 CHEK1 (0.55) KDRKITFLT1CHEK1CDK2
SCHEMBL7001515 0.85 KDR (0.63) KDRKITFLT1CHEK1LMNA
SCHEMBL7701118 0.83 KDR (0.61) KDRKITFLT1CHEK1CDK2
SCHEMBL7002932 0.82 CHEK1 (0.58) KDRKITFLT1CHEK1LMNA
SCHEMBL7004215 0.81 CHEK1 (0.57) KDRKITFLT1CHEK1SMN1; SMN2
SCHEMBL6996897 0.81 CHEK1 (0.65) KDRCHEK1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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