Phosphoric Acid

Phosphoric Acid

SCHEMBL589436

CC(C)Oc1cc(Nc2nc(N)ncc2[C@H](C)c2ccc(F)cn2)n[nH]1.O=P(O)(O)O

nearest known ligand 0.41

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 known ✓ O60674 12/20 0.41
JAK3 known ✓ P52333 10/20 0.41
FGFR3 known ✓ P22607 1/20 0.38
FGFR1 known ✓ P11362 1/20 0.38
KDR known ✓ P35968 1/20 0.38
KCNH2 known ✓ Q12809 1/20 0.38
NTRK1 P04629 8/20 0.38
CDK2 P24941 3/20 0.38
LCK P06239 2/20 0.38
RET P07949 2/20 0.38
FLT3 P36888 2/20 0.38
MUSK O15146 1/20 0.38
CCNE1 P24864 1/20 0.38
PTK2B Q14289 1/20 0.38
AURKA O14965 4/20 0.38
NTRK3 Q16288 2/20 0.38
NTRK2 Q16620 2/20 0.38
AURKB Q96GD4 2/20 0.38
IGF1R P08069 2/20 0.38
FYN P06241 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
SCHEMBL588809 0.95 JAK2 (0.44) JAK2JAK3NTRK1CDK2LCK
SCHEMBL588501 0.95 JAK2 (0.44) JAK2JAK3NTRK1CDK2LCK
SCHEMBL589869 0.86 JAK2 (0.45) JAK2JAK3NTRK1CDK2LCK
SCHEMBL220471 0.82 JAK2 (0.43) JAK2JAK3NTRK1CDK2RET
SCHEMBL217588 0.82 JAK2 (0.43) JAK2JAK3NTRK1CDK2RET
SCHEMBL588800 0.82 JAK2 (0.43) JAK2JAK3NTRK1CDK2LCK
SCHEMBL588436 0.81 JAK2 (0.59) JAK2JAK3NTRK1CDK2LCK
SCHEMBL590651 0.80 JAK2 (0.37) JAK2JAK3NTRK1CDK2LCK
SCHEMBL3668049 0.79 JAK2 (0.40) JAK2JAK3NTRK1CDK2LCK
SCHEMBL3769207 0.79 JAK2 (0.39) JAK2JAK3NTRK1CDK2LCK

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
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US claimed
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US disclosed