SCHEMBL31469313

SCHEMBL31469313

Cc1ncnc2cc(Br)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
MAPK1 P28482 2/20 0.42
EGFR P00533 7/20 0.40
EPHB2 P29323 2/20 0.40
KDR P35968 2/20 0.40
MAPT P10636 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
FBP1 P09467 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAK O14976 1/20 0.39
MAPK13 O15264 1/20 0.39
ABL1 P00519 1/20 0.39
ERBB2 P04626 1/20 0.39
CYP1A2 P05177 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
SCHEMBL8021772 0.84 HTT (0.57) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL4548650 0.79 CHEK1 (0.47) HTTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL31236169 0.76 PDE4A (0.53) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL858150 0.76 PDE4A (0.53) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL13783329 0.76 RXFP1 (0.49) MPOHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL12143429 0.76 MPO (0.45) MPOHTTEGFRKDRCDK1
SCHEMBL16755291 0.76 PI4KA (0.53) HTTLMNASMN1; SMN2EGFRFBP1
SCHEMBL19044344 0.76 EGFR (0.39) EGFRFBP1GAKERBB2
SCHEMBL1947700 0.76 LMNA (0.46) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL16755307 0.76 EGFR (0.57) HTTLMNASMN1; SMN2CCNCCDK8

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
CN-122029158-A EGFR inhibitors 缆图药品公司 2026-05-12 CN disclosed
WO-2025080784-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2025-04-17 WO disclosed