SCHEMBL22201269

SCHEMBL22201269

c1ccc2c(Nc3ccc4[nH]ccc4c3)cc(-c3ccncc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 8/20 0.55
FGFR2 P21802 1/20 0.53
FLT3 P36888 1/20 0.53
ABCG2 Q9UNQ0 5/20 0.51
ABCB1 P08183 4/20 0.51
ABCC1 P33527 2/20 0.51
PRKD1 Q15139 1/20 0.50
TGFBR1 P36897 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
RAD52 P43351 1/20 0.47
EGFR P00533 1/20 0.45
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL22201261 0.83 ACP1 (0.54) ACP1ABCG2ABCB1ABCC1TGFBR1
SCHEMBL22201257 0.81 FGFR2 (0.62) FGFR2FLT3PRKD1TGFBR1EGFR
SCHEMBL22201341 0.80 PRKD1 (0.66) ABCG2ABCB1ABCC1PRKD1TGFBR1
SCHEMBL12090776 0.79 ACP1 (0.76) ACP1ABCG2ABCB1ABCC1TGFBR1
SCHEMBL22201469 0.78 FGFR2 (0.62) FGFR2FLT3PRKD1TGFBR1EGFR
SCHEMBL22201279 0.76 ABCG2 (0.85) ACP1ABCG2ABCB1ABCC1TGFBR1
SCHEMBL17154410 0.75 TGFBR1 (0.56) PRKD1TGFBR1POLBRAD52
SCHEMBL22201598 0.74 FGFR2 (0.65) FGFR2FLT3PRKD1TGFBR1EGFR
SCHEMBL5801453 0.73 ACP1 (0.64) ACP1ABCG2ABCB1POLB
SCHEMBL6001853 0.73 ACP1 (0.64) ACP1ABCG2ABCB1

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed