SCHEMBL27564357

SCHEMBL27564357

Cc1ccc(Nc2cc[nH]c2C)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 1/20 0.46
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RAPGEF4 Q8WZA2 2/20 0.40
▸ STING1 Q86WV6 1/20 0.39
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 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
SCHEMBL27564358 0.84 PTGS1 (0.43) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL27576872 0.81 RAPGEF4 (0.53) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL27561517 0.80 RAPGEF4 (0.33) ALDH3A1KMT2AMEN1RAPGEF4
SCHEMBL27561385 0.80 TDP1 (0.38) MAPTNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL27582103 0.80 KDR (0.40) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL27582035 0.78 P2RY4 (0.40) KMT2AMAPTMEN1SMN1; SMN2TSHR
SCHEMBL27561403 0.77 PTGS1 (0.40) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL27561674 0.76 AR (0.36) KMT2AMAPTMEN1SMN1; SMN2TSHR
SCHEMBL27561375 0.75 CA2 (0.42) TP53LMNA
SCHEMBL18591632 0.72 RAPGEF4 (0.48) ALDH3A1KMT2AMAPTMEN1NPC1

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
CN-1351498-A Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2002-05-29 — — CN claimed
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