SCHEMBL20565670

SCHEMBL20565670

c1nc(N2CCCCC2)n2nccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
HTR2A P28223 3/20 0.43
HTR2B P41595 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
JAK3 P52333 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
ELOVL1 Q9BW60 2/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RIPK1 Q13546 1/20 0.33
DGAT1 O75907 1/20 0.33
CHKA P35790 1/20 0.33
HPGD P15428 1/20 0.33
CDC7 O00311 1/20 0.33

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
SCHEMBL1237759 0.74 AKT1 (0.45) HTR2CHTR2AHTR2BCYP1A2CYP2C9
SCHEMBL1236763 0.71 AKT1 (0.46) HTR2CHTR2AHTR2BCYP1A2CYP2C9
SCHEMBL2655077 0.67 HTT (0.39) HTR2CHTR2AHTR2BSMN1; SMN2CYP1A2
SCHEMBL5411017 0.66 DGAT1 (0.41) DGAT1LRRK2
SCHEMBL4840459 0.66 DGAT1 (0.36) DGAT1
SCHEMBL4572216 0.66 EGLN2 (0.38) HTR2CDGAT1
SCHEMBL9215242 0.66 PDE10A (0.34) DGAT1
SCHEMBL14649428 0.66 PDE10A (0.42) DGAT1
SCHEMBL18269478 0.62 RAD52 (0.53) HTR2CHTR2AHTR2BSMN1; SMN2NPC1
SCHEMBL18879006 0.62 DGAT1 (0.33) DGAT1

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-3624797-A1 KINASE INHIBITORS AND USES THEREOF Denali Therapeutics Inc. (US) 2020-03-25 EP disclosed
WO-2018213632-A1 KINASE INHIBITORS AND USES THEREOF DENALI THERAPEUTICS INC. (US) 2018-11-22 WO disclosed