SCHEMBL7701720

SCHEMBL7701720

O=C(NCCN1CCOCC1)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
CNR1 P21554 1/20 0.52
LMNA P02545 1/20 0.52
KDR P35968 4/20 0.52
PDGFRB P09619 1/20 0.49
FLT1 P17948 1/20 0.49
EPHX2 P34913 1/20 0.48
KCNH2 Q12809 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45

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
Urea SCHEMBL7696206 0.89 MEN1 (0.52) CHEK1CNR1KDRPDGFRBKCNH2
SCHEMBL6996897 0.88 CHEK1 (0.65) CHEK1LMNAKDR
SCHEMBL7094673 0.88 CD274 (0.59) CHEK1SMN1; SMN2KDREPHX2NPC1
Water SCHEMBL7695501 0.87 CD274 (0.58) CHEK1SMN1; SMN2KDRNPC1TSHR
SCHEMBL7162844 0.86 CHEK1 (0.63) CHEK1KDR
SCHEMBL7700703 0.86 CHEK1 (0.53) CHEK1KDR
SCHEMBL7095976 0.85 CHEK1 (0.55) CHEK1SMN1; SMN2LMNAKDRFLT1
SCHEMBL7701963 0.84 CHEK1 (0.57) CHEK1KDRKCNH2
SCHEMBL6998333 0.83 KDR (0.61) CHEK1KDR
SCHEMBL7093655 0.82 CHEK1 (0.55) CHEK1SMN1; SMN2KDRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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