SCHEMBL16563767

SCHEMBL16563767

O=C(Nc1ccncc1F)c1cc(-c2c(F)cccc2Cl)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.44
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ ROCK2 O75116 6/20 0.41
▸ PIM1 P11309 5/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ PIM3 Q86V86 2/20 0.39
▸ PIM2 Q9P1W9 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPK7 Q13164 2/20 0.38
▸ MAPK14 Q16539 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
SCHEMBL16563605 0.80 MEN1 (0.45) ALOX15RAB9A
SCHEMBL16564046 0.78 P2RX7 (0.47) ALOX15ROCK2RAB9A
SCHEMBL16563497 0.77 PTGES (0.39) ALOX15JAK2RAB9A
SCHEMBL16563847 0.77 MEN1 (0.47) RAB9A
SCHEMBL16564040 0.77 ORAI1 (0.52) ALOX15ROCK2RAB9AMAPK7
SCHEMBL16564132 0.77 KMT2A (0.44) ALOX15RAB9A
SCHEMBL16563900 0.76 MAPT (0.50) —
SCHEMBL16563773 0.76 MAPT (0.43) JAK2JAK1TYK2RAB9A
SCHEMBL1706179 0.76 TYK2 (0.59) JAK2JAK1TYK2ROCK2MCL1
SCHEMBL16563623 0.76 ALOX15 (0.42) ALOX15RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848615-A1 New pyrazole derivatives as CRAC channel modulators Almirall, S.A. (ES) 2015-03-18 — — EP claimed
EP-2848615-A1 New pyrazole derivatives as CRAC channel modulators Almirall, S.A. (ES) 2015-03-18 — — EP disclosed
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