SCHEMBL5618417

SCHEMBL5618417

CNc1nc2cnccn2c1-c1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.43
▸ PIN1 Q13526 1/20 0.41
▸ MMP13 P45452 5/20 0.39
▸ MMP2 P08253 3/20 0.39
▸ MMP14 P50281 3/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ SMAD3 P84022 1/20 0.39
▸ USP7 Q93009 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5618420 0.76 FLT3 (0.46) TBXAS1PIN1MMP13SMAD3GRIA1
SCHEMBL15642601 0.69 MMP2 (0.68) PIN1MMP13MMP2MMP14IDO1
SCHEMBL1550144 0.68 MMP2 (0.65) TBXAS1PIN1MMP13MMP2MMP14
SCHEMBL15653618 0.65 PIN1 (0.63) TBXAS1PIN1MMP13MMP2SMAD3
SCHEMBL168527 0.65 DAO (0.58) TBXAS1PIN1SMAD3F7F3
SCHEMBL3640951 0.64 PIN1 (0.54) PIN1MMP13MMP2MMP14SMAD3
SCHEMBL22777743 0.64 KDM4E (0.66) PIN1IDO1SMAD3F7F3
SCHEMBL3700465 0.64 KDM4E (0.66) PIN1IDO1SMAD3F7F3
SCHEMBL6478522 0.63 SMAD3 (0.60) PIN1SMAD3F7F3KDM4E
SCHEMBL1895337 0.62 DAO (0.58) TBXAS1PIN1IDO1SMAD3F7

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
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 — — US claimed
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