Isoquinolin-3-Amine

Isoquinolin-3-Amine

SCHEMBL29975463

Nc1cc2ccccc2cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.67
PAX8 Q06710 1/20 0.44
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
PLAU P00749 1/20 0.40
C1S P09871 1/20 0.40
FGFR1 P11362 2/20 0.40
SRC P12931 2/20 0.40
IDO1 P14902 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 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
Isoquinolin-3-Amine SCHEMBL28186686 1.00 PDPK1 (0.67) PDPK1PAX8CDK5CDK5R1L3MBTL1
Isoquinolin-3-Amine SCHEMBL30378027 0.82 PDPK1 (1.00) PDPK1PLAUFGFR1SRCCYP1A2
Isoquinolin-3-Amine SCHEMBL177520 0.82 PDPK1 (1.00) PDPK1PLAUFGFR1SRCCYP1A2
Isoquinolin-3-Amine SCHEMBL29975748 0.82 PDPK1 (1.00) PDPK1PLAUFGFR1SRCCYP1A2
Trifluoroacetic Acid SCHEMBL1658081 0.80 EGLN1 (0.47) PAX8L3MBTL1GABRPGABRDGABRA1
Isoquinolin-3-Amine SCHEMBL28187424 0.80 PDPK1 (0.95) PDPK1PLAUFGFR1SRCCYP1A2
Anthracene SCHEMBL1558998 0.78 CES1 (0.50) PAX8L3MBTL1IDO1CYP1A2
Trifluoroacetic Acid SCHEMBL5106724 0.78 EGLN1 (0.45) PDPK1PAX8L3MBTL1CYP1A2CYP2A6
Trifluoroacetic Acid SCHEMBL27827825 0.77 ALDH1A1 (0.50) NPC1MGAM
Phthalazine SCHEMBL28331232 0.76 CES1 (0.45) PAX8L3MBTL1C1SCYP1A2MGAM

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-4329757-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2024-03-06 EP disclosed
WO-2022232331-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-11-03 WO disclosed