SCHEMBL30083604

SCHEMBL30083604

NCc1ccc(-c2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
NPC1 O15118 2/20 0.45
NFKB1 P19838 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2A6 P11509 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.41
SGK1 O00141 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
SRC P12931 1/20 0.40
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP7 Q93009 1/20 0.39
MAP4K4 O95819 1/20 0.39
ACHE P22303 1/20 0.38
DPP4 P27487 2/20 0.38

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
SCHEMBL10133262 1.00 TAAR1 (0.50) TAAR1NPC1NFKB1RAB9ANFKB2
SCHEMBL6042308 0.84 HRH1 (0.52) TAAR1NPC1NFKB1RAB9ANFKB2
SCHEMBL17149525 0.82 CYP2A6 (0.62) CYP2A6LOXL2CYP3A4
Hydrochloric Acid SCHEMBL31716379 0.82 ALDH1A1 (0.50) TAAR1NPC1RAB9ASMN1; SMN2CYP2A6
SCHEMBL12496499 0.82 MAOB (0.42) TAAR1LOXL2SRCMAP4K4DPP4
SCHEMBL20294436 0.79 MAP4K4 (0.41) TAAR1NPC1RAB9ACYP2A6SGK1
SCHEMBL19784056 0.79 CHRNB2 (0.40) TAAR1LOXL2CHRNB2CHRNA4SRC
SCHEMBL25304675 0.79 RAB9A (0.45) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL5114909 0.79 PIK3CA (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2554715 0.79 RAB9A (0.45) NPC1NFKB1RAB9ANFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4652168-A1 5-AMINO-1H-PYRROLO [3, 2-B] PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MTA-COOPERATIVE INHIBITORS OF PRMT5 Beone Medicines I GmbH (CH) 2025-11-26 EP disclosed
WO-2024153230-A1 5-AMINO-1H-PYRROLO [3, 2-b] PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MTA-COOPERATIVE INHIBITORS OF PRMT5 BEIGENE, LTD. (KY) 2024-07-25 WO disclosed
EP-4355426-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-04-24 EP disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 WO disclosed