SCHEMBL31351981

SCHEMBL31351981

Cc1cc(I)ccc1Oc1ccc2c(c1)ncn2C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
ERBB2 P04626 15/20 0.41
EGFR P00533 4/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 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
SCHEMBL23957541 1.00 KMT2A (0.46) KMT2AHPGDGAAERBB2EGFR
SCHEMBL30050019 0.84 KMT2A (0.49) KMT2AHPGDGAAERBB2EGFR
SCHEMBL1191996 0.84 KMT2A (0.46) KMT2AHPGDGAAERBB2EGFR
SCHEMBL29197376 0.84 KMT2A (0.49) KMT2AHPGDGAAERBB2EGFR
SCHEMBL31351943 0.82 ERBB2 (0.47) KMT2AHPGDGAAERBB2EGFR
SCHEMBL24569429 0.81 ERBB2 (0.53) GAAERBB2EGFRMAPT
SCHEMBL29887863 0.81 ERBB2 (0.53) GAAERBB2EGFRMAPT
SCHEMBL31351988 0.81 ERBB2 (0.45) KMT2AHPGDGAAERBB2EGFR
SCHEMBL23750191 0.80 ERBB2 (0.46) KMT2AHPGDGAAERBB2EGFR
SCHEMBL24570249 0.79 L3MBTL1 (0.46) KMT2AHPGDGAAERBB2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202889-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2025-10-02 WO disclosed
WO-2025051148-A1 NITROGEN-CONTAINING HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 北京鞍石生物科技股份有限公司 2025-03-13 WO disclosed
CN-119320383-A Nitrogen-containing heteroaryl compound, and preparation method and application thereof 北京鞍石生物科技股份有限公司 2025-01-17 CN disclosed