SCHEMBL12499727

SCHEMBL12499727

CN(C)C(=O)c1n[nH]c2c1CCCc1cnc(-c3ccccc3)nc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 6/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
MAPKAPK2 P49137 2/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MAPK10 P53779 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
SCHEMBL10216360 0.72 MAPKAPK2 (0.39) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL12698343 0.71 CCNA2 (0.46)
SCHEMBL17746013 0.70 CDK2 (0.60)
SCHEMBL874744 0.68 KMT2A (0.47) MEN1KMT2AHTR2CALDH1A1LMNA
SCHEMBL17675180 0.66 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL12698421 0.65 CCNA2 (0.64) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL430203 0.62 ALDH1A1 (0.41) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4234304 0.62 PI4KB (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL12500022 0.62 NNMT (0.34) KMT2A
SCHEMBL12929439 0.61 MEN1 (0.72) MEN1KMT2AALDH1A1LMNAMAPK1

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-2668188-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-12-04 EP disclosed
WO-2012101029-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-08-02 WO disclosed