SCHEMBL23619474

SCHEMBL23619474

C[C@H]1CC[C@@H](Nc2ncnc3[nH]ccc23)CN1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.56
JAK1 P23458 4/20 0.56
BTK Q06187 2/20 0.56
TEC P42680 1/20 0.56
TXK P42681 1/20 0.56
BLK P51451 1/20 0.56
BMX P51813 1/20 0.56
ITK Q08881 1/20 0.56
ERBB4 Q15303 1/20 0.56
HPGDS O60760 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
JAK2 O60674 2/20 0.48
TYK2 P29597 2/20 0.48

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
SCHEMBL24106807 0.84 ADORA1 (0.48) JAK3JAK1BTKTECTXK
SCHEMBL28855720 0.84 JAK3 (0.59) JAK3JAK1BTKTECTXK
SCHEMBL23221794 0.82 JAK3 (0.66) JAK3JAK1BTKTECTXK
SCHEMBL21333438 0.82 JAK3 (0.66) JAK3JAK1BTKTECTXK
SCHEMBL20183411 0.82 JAK1 (0.60) JAK3JAK1HPGDSJAK2TYK2
SCHEMBL20183409 0.82 JAK1 (0.60) JAK3JAK1HPGDSJAK2TYK2
SCHEMBL28855810 0.81 JAK3 (0.64) JAK3JAK1BTKTECTXK
SCHEMBL23408967 0.80 JAK3 (0.65) JAK3JAK1BTKTECTXK
SCHEMBL22909510 0.80 JAK3 (0.65) JAK3JAK1BTKTECTXK
SCHEMBL23408959 0.80 JAK3 (0.65) JAK3JAK1BTKTECTXK

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-2021136482-A1 METHOD FOR PREPARING PF06651600 AND INTERMEDIATE USED THEREIN 江苏艾立康医药科技有限公司 2021-07-08 WO disclosed