SCHEMBL23536780

SCHEMBL23536780

Cc1nncc2cc(Br)c(F)cc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
FLT1 P17948 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
EGFR P00533 1/20 0.30

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
SCHEMBL25839679 0.70 CASP3 (0.37)
SCHEMBL24252421 0.68
SCHEMBL30451438 0.68
SCHEMBL23526206 0.68 KDM1A (0.31) KDM1AKDM1B
SCHEMBL23526022 0.68 KDM1A (0.31) KDM1AKDM1B
SCHEMBL30014064 0.68 KDM1A (0.31) KDM1AKDM1B
SCHEMBL31678471 0.67 ALDH1A1 (0.57) FLT1EGFR
SCHEMBL26776186 0.66 NQO2 (0.33)
SCHEMBL8404450 0.66 CYP1A2 (0.42)
SCHEMBL10078329 0.66 CYP1A2 (0.42)

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
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127429-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2021-06-24 WO disclosed