SCHEMBL26639879

SCHEMBL26639879

COC(=O)c1cc(Cl)nc(OC)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
POLB P06746 1/20 0.47
GAA P10253 4/20 0.46
NQO2 P16083 6/20 0.46
ABL1 P00519 1/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39

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
SCHEMBL30657473 1.00 KDM4E (0.50) KDM4EPOLBGAANQO2ABL1
SCHEMBL25130936 0.85 POLB (0.44) KDM4EPOLBNQO2ALDH1A1SMN1; SMN2
SCHEMBL25130856 0.85 KDM4E (0.38) KDM4EPOLBGAANQO2ALDH1A1
SCHEMBL29678780 0.83 KDM4E (0.53) KDM4EPOLBGAANQO2ABL1
SCHEMBL110643 0.83 KDM4E (0.53) KDM4EPOLBGAANQO2ABL1
SCHEMBL6560149 0.82 KDM4E (0.51) KDM4EPOLBGAANQO2ALDH1A1
SCHEMBL535539 0.82 KDM4E (0.51) KDM4EPOLBGAANQO2ABL1
SCHEMBL31039239 0.82 KDM4E (0.51) KDM4EPOLBGAANQO2ABL1
SCHEMBL536169 0.81 KDM4E (0.50) KDM4EPOLBGAANQO2ABL1
SCHEMBL17979068 0.81 KDM4E (0.50) KDM4EPOLBGAANQO2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023215256-A1 SOS1 INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2023-11-09 WO disclosed
WO-2023215256-A1 SOS1 INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2023-11-09 WO disclosed