SCHEMBL9697628

SCHEMBL9697628

CSc1nc(C)cc(N(C)c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
HTT P42858 4/20 0.49
MEN1 O00255 4/20 0.49
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
DHFR P00374 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TERT O14746 1/20 0.38
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9877961 0.78 TSHR (0.42) KMT2AHTTMEN1TSHRSMN1; SMN2
SCHEMBL8429640 0.77 TSHR (0.65) KMT2AHTTMEN1TSHRSMN1; SMN2
SCHEMBL9878842 0.77 DHFR (0.54) SMN1; SMN2MAPTTAAR1DHFRCYP1A2
SCHEMBL9594989 0.74 TAAR1 (0.53) KMT2AHTTMEN1TSHRSMN1; SMN2
SCHEMBL2130904 0.72 DHFR (0.47) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL31098976 0.71 DHFR (0.41) HTTMAPTTAAR1DHFREGFR
SCHEMBL1885381 0.70 POLB (0.65) KMT2AHTTMEN1TSHRLMNA
SCHEMBL2409649 0.70 TSHR (0.46) KMT2AMEN1TSHRLMNADHFR
SCHEMBL7526568 0.69 ALDH1A1 (0.56) KMT2AHTTMEN1MAPTLMNA
SCHEMBL21765309 0.68 SMN1; SMN2 (0.41) KMT2AHTTTSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992005158-A1 4-ANILINO-PYRIMIDINES, PROCESS FOR PRODUCING THE SAME, AGENTS CONTAINING THE SAME AND THEIR USE AS FUNGICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-02 WO disclosed