SCHEMBL7474375

SCHEMBL7474375

Nc1nccn1-c1ccccc1C(=O)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.43
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 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
SCHEMBL7475318 0.86 MAPK14 (0.42) MAPK14CDK5CDK5R1POLBGAA
SCHEMBL7473148 0.84 MAPK14 (0.44) MAPK14POLBGAANPC1TSHR
SCHEMBL7471841 0.84 MAPK14 (0.44) MAPK14POLBHTTGAANPC1
SCHEMBL7470949 0.81 KDM4E (0.49) MAPK14POLBGAATSHRKDM4E
SCHEMBL7471290 0.81 ALDH1A1 (0.41) MAPK14CDK5CDK5R1CES2CES1
SCHEMBL7475041 0.80 F7 (0.42) POLBCCNA2CDK2GAANPC1
SCHEMBL7471362 0.79 LTA4H (0.40) MAPK14HTTNPC1SMN1; SMN2RAB9A
SCHEMBL7475152 0.78 MAPK14 (0.44) MAPK14POLBHTTGAANPC1
SCHEMBL7468553 0.76 MAPK14 (0.45) MAPK14CDK2HTTGAAMEN1
SCHEMBL7469629 0.76 KMT2A (0.44) CES2CES1NPC1TSHRSMN1; SMN2

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-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 — — EP disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 — — EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 — — WO disclosed
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