SCHEMBL31485307

SCHEMBL31485307

COc1ccc2cc(Br)cc(I)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PRNP P04156 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NQO2 P16083 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
CLK1 P49759 1/20 0.33
MAOB P27338 2/20 0.33
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL26650884 1.00 EGFR (0.38) EGFRALDH1A1PRNPMAPTNPSR1
SCHEMBL7266128 0.82 NQO2 (0.42) EGFRALDH1A1PRNPMAPTNPSR1
SCHEMBL2192770 0.81 EGFR (0.37) EGFRALDH1A1PRNPMAPTNPSR1
SCHEMBL20563188 0.80 RAF1 (0.36) MAPTHSP90AA1HSP90AB1CYP1A2KMT2A
SCHEMBL30748588 0.74 EGFR (0.33) EGFRMAPTRXFP1TDP1
SCHEMBL26650555 0.74 EGFR (0.33) EGFRMAPTRXFP1TDP1
SCHEMBL31403124 0.74 PTGS2 (0.40)
SCHEMBL18544257 0.72 MTNR1A (0.47) KMT2ACLK1MTNR1AMTNR1B
SCHEMBL26650835 0.71 HSP90AA1 (0.35) EGFRNQO2HSP90AA1HSP90AB1CYP1A2
SCHEMBL16511925 0.71 MTNR1A (0.44) CYP1A2KMT2ACLK1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524135-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2025-03-19 EP disclosed