SCHEMBL29623711

SCHEMBL29623711

Cc1csc(NC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.56
KDR P35968 1/20 0.56
AURKB Q96GD4 1/20 0.56
RAB9A P51151 8/20 0.56
POLB P06746 3/20 0.56
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
FGFR1 P11362 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
SMARCA2 P51531 1/20 0.48
SMARCA4 P51532 1/20 0.48
F9 P00740 1/20 0.47
F10 P00742 1/20 0.47
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 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
SCHEMBL19350713 1.00 AURKA (0.56) AURKAKDRAURKBRAB9APOLB
SCHEMBL29623716 0.81 AURKA (0.61) AURKAKDRAURKBRAB9ANPC1
SCHEMBL19350812 0.81 AURKA (0.61) AURKAKDRAURKBRAB9ANPC1
SCHEMBL29623560 0.81 TAAR1 (0.60) AURKAKDRAURKBRAB9ANPC1
SCHEMBL19350760 0.81 TAAR1 (0.60) AURKAKDRAURKBRAB9ANPC1
SCHEMBL19350868 0.79 AURKA (0.64) AURKAKDRAURKBRAB9ANPC1
SCHEMBL20603923 0.78 HTT (0.63) AURKAKDRAURKBRAB9ANPC1
SCHEMBL18236206 0.77 RAB9A (0.74) RAB9APOLBNPC1SMN1; SMN2KMT2A
SCHEMBL19350939 0.77 NPC1 (0.57) AURKAKDRAURKBRAB9ANPC1
SCHEMBL29623720 0.77 NPC1 (0.57) AURKAKDRAURKBRAB9ANPC1

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
CN-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 CN disclosed