SCHEMBL31469324

SCHEMBL31469324

Brc1ccc2c(-c3c(-c4ccccc4)cnn3C3CCCCO3)ncnc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.40
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
PTGES O14684 1/20 0.34
MCL1 Q07820 1/20 0.33
MAPK8 P45983 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL38651278 0.81 ATR (0.41) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL31469353 0.80 ALK (0.43) MCL1
SCHEMBL31469256 0.78 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2
SCHEMBL26114155 0.71 AURKB (0.40) MCL1
SCHEMBL26110531 0.69 AURKB (0.42) MCL1
SCHEMBL21463409 0.69 RXFP1 (0.39) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL26920341 0.68 CYP4F2 (0.39) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL38651284 0.68 MCL1 (0.40) ATRMCL1SMN1; SMN2
SCHEMBL1646890 0.67 ATR (0.40) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL1646904 0.65 ATR (0.45) ATRCYP4F2CYP4A11RXRARXRB

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