SCHEMBL28536643

SCHEMBL28536643

CN1CCC(Nc2ccc(Br)cc2N)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.42
RPS6KB1 P23443 1/20 0.41
KAT2B Q92831 6/20 0.41
HRH4 Q9H3N8 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
AXL P30530 1/20 0.35
BPTF Q12830 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL29791970 1.00 AAK1 (0.42) AAK1RPS6KB1KAT2BHRH4CYP3A4
SCHEMBL23177340 1.00 AAK1 (0.42) AAK1RPS6KB1KAT2BHRH4CYP3A4
SCHEMBL30980984 1.00 AAK1 (0.42) AAK1RPS6KB1KAT2BHRH4CYP3A4
SCHEMBL23177128 1.00 AAK1 (0.42) AAK1RPS6KB1KAT2BHRH4CYP3A4
SCHEMBL30980977 0.91 POLB (0.43) AAK1KAT2BHRH4CYP3A4CYP2D6
SCHEMBL18182103 0.91 POLB (0.43) AAK1KAT2BHRH4CYP3A4CYP2D6
SCHEMBL14327261 0.81 AAK1 (0.44) AAK1CYP3A4CYP2D6
SCHEMBL29502212 0.80 AAK1 (0.48) AAK1ALOX15
SCHEMBL459719 0.80 AAK1 (0.48) AAK1ALOX15
SCHEMBL18348307 0.80 NOS3 (0.45) RPS6KB1KAT2BHRH4CYP3A4CYP2D6

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-112574189-B EP300/CBP inhibitor 海创药业股份有限公司 2024-05-31 CN disclosed
CN-112574189-A EP300/CBP inhibitor 海创药业股份有限公司 2021-03-30 CN disclosed