SCHEMBL30736148

SCHEMBL30736148

NC(=O)c1ccn2cnccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TBXAS1 P24557 2/20 0.38
CHUK O15111 1/20 0.37
CDC7 O00311 5/20 0.35
KDM4E B2RXH2 4/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CDK9 P50750 1/20 0.34
MAP2K3 P46734 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP11B2 P19099 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL3796726 0.75 SIRT3 (0.44) SIRT3TDP1TBXAS1CHUKKDM4E
SCHEMBL2631222 0.72 MAPT (0.42) TDP1KDM4EMAP2K3CYP3A4CYP2C19
SCHEMBL5489397 0.71 IDO1 (0.36) CDC7CYP2D6MAPK1CYP11B2ALDH1A1
Hydrochloric Acid SCHEMBL16468136 0.70 KDM4E (0.41) TDP1KDM4EMAP2K3CYP3A4CYP2C19
SCHEMBL19555308 0.70 MKNK1 (0.37) SIRT3TDP1TBXAS1KDM4ECYP1A2
SCHEMBL17729406 0.68 IRAK4 (0.45) SIRT3TDP1KDM4EHTTALDH1A1
SCHEMBL27985185 0.67 KDM4E (0.45) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL29882577 0.67 PARP1 (0.38) TDP1CHUKKDM4ECLK1DYRK1A
Hydrochloric Acid SCHEMBL28110444 0.66 KDM4E (0.43) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL30736072 0.66 SIRT3 (0.39) SIRT3TDP1CLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547669-A1 INHIBITORS OF FGFR2 AND FGFR3 AND USES THEREOF Insilico Medicine IP Limited (HK) 2025-05-07 EP disclosed
CN-119451964-A FGFR2 and FGFR3 inhibitors and uses thereof 英矽智能科技知识产权有限公司 2025-02-14 CN disclosed
WO-2024002157-A1 INHIBITORS OF FGFR2 AND FGFR3 AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-01-04 WO disclosed