SCHEMBL31025614

SCHEMBL31025614

Clc1nc2c(I)cc(Br)cc2c2nc(-c3ccccc3)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.42
ADORA1 P30542 2/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 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
SCHEMBL31025659 0.81 TP53 (0.44) ADORA3ADORA1POLBADORA2AHPGD
SCHEMBL31025529 0.78 NPC1 (0.33)
SCHEMBL31025558 0.78 TDP2 (0.30)
SCHEMBL22987540 0.76 TP53 (0.42) ADORA3ADORA1XDHADORA2ATP53
SCHEMBL22987536 0.75 AMY1A (0.44) ADORA3MAPTKDM4EALDH1A1TP53
SCHEMBL31025518 0.74 GABRP (0.57) ADORA3POLBGABRPGABRDGABRA1
SCHEMBL22979023 0.73 ADORA3 (0.69) ADORA3ADORA1MAPTPOLBGABRP
SCHEMBL29646414 0.73 ADORA3 (0.69) ADORA3ADORA1MAPTPOLBGABRP
SCHEMBL22988116 0.72 ADORA3 (0.53) ADORA3ADORA1MAPTPOLBTP53
SCHEMBL22987774 0.68 ADORA3 (0.45) ADORA3ADORA1MAPTXDHADORA2A

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
EP-4658657-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Mirati Therapeutics, Inc. (US) 2025-12-10 EP disclosed
WO-2024163707-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Mirati Therapeutics, Inc. (US) 2024-08-08 WO disclosed